UCSF

ZINC41514609

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 35 No

Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-6-hydroxy-4-methyl-2-[(2,3,4-trimethoxyphenyl)methylene]benzofu (2Z)-7-[[benzyl(methyl)amino]met…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.53 11.05 -55.88 2 7 1 83 476.549 8 ↓
Hi High (pH 8-9.5) 4.53 9.49 -44.02 0 7 -1 84 474.533 8 ↓
Mid Mid (pH 6-8) 4.53 8.73 -11.11 1 7 0 81 475.541 8 ↓
Mid Mid (pH 6-8) 4.53 11.81 -36.78 1 7 0 85 475.541 8 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )